SCHEMBL9020125

SCHEMBL9020125

Nc1nc2c(ncn2C2CC(CO)C2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.60
ADORA3 P0DMS8 1/20 0.58
ADORA2B P29275 1/20 0.55
PNP P00491 3/20 0.54
HPRT1 P00492 3/20 0.53
TK1 P04183 2/20 0.48
STING1 Q86WV6 2/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9367067 1.00 AHCY (0.60) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL10516867 1.00 AHCY (0.60) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL10516308 1.00 AHCY (0.60) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL29323386 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL10767171 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL9877452 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL1713028 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL10767166 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL29325364 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1
SCHEMBL9078539 0.97 AHCY (0.65) AHCYADORA3ADORA2BPNPHPRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP claimed
US-4918075-A Purinyl and pyrimidinyl cyclobutanes and their use as antiviral agents E. R. SQUIBB & SONS, INC. (US) 1990-04-17 US claimed
EP-0322854-A1 Purinyl cyclobutanes E.R. Squibb & Sons, Inc. (US) 1989-07-05 EP claimed
JP-2000780-A None JP disclosed
EP-0458312-B1 Novel cyclobutane derivatives NIPPON KAYAKU KK (JP) 1996-03-20 EP disclosed
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP disclosed
US-5324730-A Viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-06-28 US disclosed
US-5246931-A Triazine-substituted cyclobutane derivatives; viricides; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-21 US disclosed
US-5153352-A Viricides and antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1992-10-06 US disclosed
EP-0458312-A1 Novel cyclobutane derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1991-11-27 EP disclosed
EP-0366059-A2 Carbocyclic nucleoside analogs BRISTOL-MYERS SQUIBB COMPANY (US) 1990-05-02 EP disclosed
US-4918075-A Purinyl and pyrimidinyl cyclobutanes and their use as antiviral agents E. R. SQUIBB & SONS, INC. (US) 1990-04-17 US disclosed
JP-H02780-A PURINYL AND PYRIDINYL CYCLO BUTANES E R SQUIBB & SONS INC 1990-01-05 JP disclosed
EP-0330992-A2 Novel cyclobutane Derivatives, processes for their preparation and pharmaceutical compositions comprising them Nippon Kayaku Kabushiki Kaisha (JP) 1989-09-06 EP disclosed
US-4855466-A Purinyl cyclobutanes E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0322854-A1 Purinyl cyclobutanes E.R. Squibb & Sons, Inc. (US) 1989-07-05 EP disclosed